3-nitroquinoline-4-carboxamide

C10H7N3O3 — CID 19034747

IUPAC3-nitroquinoline-4-carboxamide
SMILESNC(=O)c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C10H7N3O3/c11-10(14)9-6-3-1-2-4-7(6)12-5-8(9)13(15)16/h1-5H,(H2,11,14)
InChIKeyJYEOMLVVFCPDMY-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.24
Rot. Bonds2

About 3-nitroquinoline-4-carboxamide

3-nitroquinoline-4-carboxamide (PubChem CID 19034747) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 3-nitroquinoline-4-carboxamide.

Molecular Properties

Compound Name3-nitroquinoline-4-carboxamide
PubChem CID19034747
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name3-nitroquinoline-4-carboxamide
SMILESNC(=O)c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C10H7N3O3/c11-10(14)9-6-3-1-2-4-7(6)12-5-8(9)13(15)16/h1-5H,(H2,11,14)
InChIKeyJYEOMLVVFCPDMY-UHFFFAOYSA-N
XLogP1.24
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-nitroquinolin-4-yl)amino]propanamide
CID 103963977
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-[(3-nitroquinolin-4-yl)amino]ethyl carbamate
CID 23019820
2-methyl-1-(3-nitroquinolin-4-yl)propan-1-amine
CID 174742802
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
4-azido-3-nitroquinoline
CID 112704025
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
3-(3-nitroquinolin-4-yl)oxyaniline
CID 103964825
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836

Frequently Asked Questions

What is the IUPAC name of 3-nitroquinoline-4-carboxamide?
The IUPAC name of 3-nitroquinoline-4-carboxamide (CID 19034747) is 3-nitroquinoline-4-carboxamide.
What is the SMILES notation for 3-nitroquinoline-4-carboxamide?
The canonical SMILES for 3-nitroquinoline-4-carboxamide is NC(=O)c1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 3-nitroquinoline-4-carboxamide?
The InChIKey is JYEOMLVVFCPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c11-10(14)9-6-3-1-2-4-7(6)12-5-8(9)13(15)16/h1-5H,(H2,11,14).
What are the key properties of 3-nitroquinoline-4-carboxamide?
3-nitroquinoline-4-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroquinoline-4-carboxamide is sourced from PubChem (CID 19034747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).